3,5-bis(butanoylamino)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3,5-bis(butanoylamino)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3,5-bis(butanoylamino)-2,4,6-triiodo-benzoic acid CAS Name: 2,4,6-triiodo-3,5-bis(1-oxobutylamino)benzoic acid IUPAC Name: 3,5-bis(butanoylamino)-2,4,6-triiodobenzoic acid Traditional Name: 3,5-dibutyramido-2,4,6-triiodo-benzoic acid Formula: C15H17I3N2O4 MolecularWeight: 670.01989

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCC)I

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCC)I

InChI

InChI=1S/C15H17I3N2O4/c1-3-5-7(21)19-13-10(16)9(15(23)24)11(17)14(12(13)18)20-8(22)6-4-2/h3-6H2,1-2H3,(H,19,21)(H,20,22)(H,23,24)